Information card for entry 7006474

Structure parameters

• Formula: C84 H116 Cu4 Fe2 N8 O16
• Calculated formula: C84 H98 Cu4 Fe2 N8 O16
• Title of publication: Metal complexes from 1,1'-di(pyrazinyl)ferrocene: coordination polymers and bridged diferrocenes.
• Authors of publication: Mochida, Tomoyuki; Okazawa, Kazuya; Horikoshi, Ryo
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 5
• Pages of publication: 693 - 704
• a: 13.3978 ± 0.0009 Å
• b: 22.6166 ± 0.0015 Å
• c: 14.4661 ± 0.001 Å
• α: 90°
• β: 96.918 ± 0.002°
• γ: 90°
• Cell volume: 4351.5 ± 0.5 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1208
• Weighted residual factors for all reflections included in the refinement: 0.1298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No